(Q82985835)

English

9-Hydroxy-1-methylcinchonan-1-ium iodide

group of stereoisomers with the chemical formula C₂₀H₂₅IN₂O

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Statements

group of stereoisomers

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chemical compound

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436.10116142000004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₅IN₂O

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based on heuristic

inferred from SMILES

canonical SMILES

C=CC1C[N+]2(C)CCC1CC2C(O)c1ccnc2ccccc12.[I-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=CC1C[N+]2(C)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.[I-]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H25N2O.HI/c1-3-14-13-22(2)11-9-15(14)12-19(22)20(23)17-8-10-21-18-7-5-4-6-16(17)18;/h3-8,10,14-15,19-20,23H,1,9,11-13H2,2H3;1H/q+1;/p-1/t14?,15?,19-,20+,22?;/m1./s1

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ZGQDJVPJNYXGNV-UMVHADAKSA-M

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID601421813

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